2-bromanyl-1-isothiocyanato-4-nitro-benzene

Systemtic Name: 2-bromanyl-1-isothiocyanato-4-nitro-benzene Openeye Name: 2-bromo-1-isothiocyanato-4-nitro-benzene CAS Name: 2-bromo-1-isothiocyanato-4-nitrobenzene IUPAC Name: 2-bromo-1-isothiocyanato-4-nitrobenzene Traditional Name: 2-bromo-1-isothiocyanato-4-nitro-benzene Formula: C7H3BrN2O2S MolecularWeight: 259.07992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)N=C=S

InChI

InChI=1S/C7H3BrN2O2S/c8-6-3-5(10(11)12)1-2-7(6)9-4-13/h1-3H